1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole

C13H11ClN2O2S — CID 54895623

IUPAC1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole
SMILESO=S(=O)(c1ccnc(Cl)c1)N1CCc2ccccc21
InChIInChI=1S/C13H11ClN2O2S/c14-13-9-11(5-7-15-13)19(17,18)16-8-6-10-3-1-2-4-12(10)16/h1-5,7,9H,6,8H2
InChIKeyAZRKBWOHHXKXKJ-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.49
Rot. Bonds2

About 1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole

1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole (PubChem CID 54895623) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole
PubChem CID54895623
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole
SMILESO=S(=O)(c1ccnc(Cl)c1)N1CCc2ccccc21
InChIInChI=1S/C13H11ClN2O2S/c14-13-9-11(5-7-15-13)19(17,18)16-8-6-10-3-1-2-4-12(10)16/h1-5,7,9H,6,8H2
InChIKeyAZRKBWOHHXKXKJ-UHFFFAOYSA-N
XLogP2.49
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 6462869
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 974280
1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454424
1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 43811959
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
3-bromo-4-fluorobenzenesulfonyl chloride;1-(3-bromo-4-fluorophenyl)sulfonyl-2,3-dihydroindole
CID 158330118
6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 22692421
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole
CID 46807431
1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole
CID 2952438

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole?
The IUPAC name of 1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole (CID 54895623) is 1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole?
The canonical SMILES for 1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole is O=S(=O)(c1ccnc(Cl)c1)N1CCc2ccccc21.
What is the InChIKey of 1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole?
The InChIKey is AZRKBWOHHXKXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c14-13-9-11(5-7-15-13)19(17,18)16-8-6-10-3-1-2-4-12(10)16/h1-5,7,9H,6,8H2.
What are the key properties of 1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole?
1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole has a molecular weight of 294.76 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole is sourced from PubChem (CID 54895623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).